3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole

C19H21NO — CID 142101066

IUPAC3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole
SMILESCCc1c(C)[nH]c2c(OCc3ccccc3C)cccc12
InChIInChI=1S/C19H21NO/c1-4-16-14(3)20-19-17(16)10-7-11-18(19)21-12-15-9-6-5-8-13(15)2/h5-11,20H,4,12H2,1-3H3
InChIKeyFXDYCXHLWAJBDO-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.93
Rot. Bonds4

About 3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole

3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole (PubChem CID 142101066) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole.

Molecular Properties

Compound Name3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole
PubChem CID142101066
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole
SMILESCCc1c(C)[nH]c2c(OCc3ccccc3C)cccc12
InChIInChI=1S/C19H21NO/c1-4-16-14(3)20-19-17(16)10-7-11-18(19)21-12-15-9-6-5-8-13(15)2/h5-11,20H,4,12H2,1-3H3
InChIKeyFXDYCXHLWAJBDO-UHFFFAOYSA-N
XLogP4.93
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2-methyl-1H-indol-7-ol
CID 130049392
3-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
CID 60999160
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde
CID 112710911
N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine
CID 65335513
N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 114319014
3-[(2-methylphenyl)methoxy]-1H-pyridin-2-one
CID 82056015
2-[(7-methyl-1H-indol-3-yl)methoxy]phenol
CID 117186217
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
(NE)-N-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylidene]hydroxylamine
CID 42312904
2-[(2-methoxyphenyl)methoxy]-1,3-dimethylbenzene
CID 70895147
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole?
The IUPAC name of 3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole (CID 142101066) is 3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole.
What is the SMILES notation for 3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole?
The canonical SMILES for 3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole is CCc1c(C)[nH]c2c(OCc3ccccc3C)cccc12.
What is the InChIKey of 3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole?
The InChIKey is FXDYCXHLWAJBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-4-16-14(3)20-19-17(16)10-7-11-18(19)21-12-15-9-6-5-8-13(15)2/h5-11,20H,4,12H2,1-3H3.
What are the key properties of 3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole?
3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole has a molecular weight of 279.38 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1H-indole is sourced from PubChem (CID 142101066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).